4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methoxyiminopiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methoxyiminopiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-methoxyimino-1-piperidyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methoxyimino-1-piperidinyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methoxyiminopiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-methyloximinopiperidino)phthalazine-6-carbonitrile hydrochloride Formula: C23H24Cl2N6O2 MolecularWeight: 487.38166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(=NOC)CC4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(=NOC)CC4)Cl.Cl

InChI

InChI=1S/C23H23ClN6O2.ClH/c1-31-21-6-4-16(12-20(21)24)14-26-22-19-11-15(13-25)3-5-18(19)23(28-27-22)30-9-7-17(8-10-30)29-32-2;/h3-6,11-12H,7-10,14H2,1-2H3,(H,26,27);1H